CHEBI:28882 - (S)-2-benzoylsuccinyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-2-benzoylsuccinyl-CoA
ChEBI ID CHEBI:28882
ChEBI ASCII Name (S)-2-benzoylsuccinyl-CoA
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-2-benzoylsuccinic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3042, CHEBI:22734
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C32H44N7O20P3S
Net Charge 0
Average Mass 971.710
Monoisotopic Mass 971.15747
InChI InChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,24-26,30,44-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18-,19+,24+,25+,26-,30+/m0/s1
InChIKey SGNPJINSCKFITG-BBJTXHABSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)C(=O)C1=CC=CC=C1
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-2-benzoylsuccinyl-CoA (CHEBI:28882) is a acyl-CoA (CHEBI:17984)
(S)-2-benzoylsuccinyl-CoA (CHEBI:28882) is conjugate acid of (S)-2-benzoylsuccinyl-CoA(5−) (CHEBI:189060)
Incoming (S)-2-benzoylsuccinyl-CoA(5−) (CHEBI:189060) is conjugate base of (S)-2-benzoylsuccinyl-CoA (CHEBI:28882)
IUPAC Name
(9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-benzoyl-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide
Synonyms Sources
2-benzoylsuccinoyl-CoA ChEBI
2-benzoylsuccinoyl-coenzyme A ChEBI
2-Benzoylsuccinyl-CoA KEGG COMPOUND
2-benzoylsuccinyl-coenzyme A ChEBI
Benzoylsuccinyl-CoA KEGG COMPOUND
Manual Xref Database
C09820 KEGG COMPOUND
View more database links
Citations
von Horsten S, Lippert ML, Geisselbrecht Y, Schühle K, Schall I, Essen LO, Heider J (2022)
Inactive pseudoenzyme subunits in heterotetrameric BbsCD, a novel short-chain alcohol dehydrogenase involved in anaerobic toluene degradation.
The FEBS journal 289, 1023-1042 [PubMed:34601806]
[show Abstract]
Leutwein C, Heider J (2001)
Succinyl-CoA:(R)-benzylsuccinate CoA-transferase: an enzyme of the anaerobic toluene catabolic pathway in denitrifying bacteria.
Journal of bacteriology 183, 4288-4295 [PubMed:11418570]
[show Abstract]
Leutwein C, Heider J (1999)
Anaerobic toluene-catabolic pathway in denitrifying Thauera aromatica: activation and beta-oxidation of the first intermediate, (R)-(+)-benzylsuccinate.
Microbiology (Reading, England) 145 ( Pt 11), 3265-3271 [PubMed:10589736]
[show Abstract]
Last Modified
13 January 2022